1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]nipecotic acid Formula: C22H25BrClNO4 MolecularWeight: 482.7952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H25BrClNO4/c1-3-29-20-8-6-15(23)11-17(20)21(18-12-16(24)7-9-19(18)28-2)25-10-4-5-14(13-25)22(26)27/h6-9,11-12,14,21H,3-5,10,13H2,1-2H3,(H,26,27)